%chk=water.chk # Checkpoint file %nprocshared=8 # Number of cores %mem=16GB # Memory #p B3LYP/6-31G(d) opt freq # Route section
Even seasoned users encounter errors unique to the ecosystem. gaussian 16 linux
cp /path/to/my_license_file /opt/gaussian/g16/license.file %chk=water
Quick checklist to get started (actionable) gaussian 16 linux
Set the file permissions: